5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole

C12H15F2N5O — CID 136572077

IUPAC5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cc(Cc2noc(C3CCC(F)(F)CC3)n2)nn1
InChIInChI=1S/C12H15F2N5O/c1-19-7-9(16-18-19)6-10-15-11(20-17-10)8-2-4-12(13,14)5-3-8/h7-8H,2-6H2,1H3
InChIKeyQUGPXUZCIZHILB-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.08
Rot. Bonds3

About 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole

5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 136572077) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID136572077
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCn1cc(Cc2noc(C3CCC(F)(F)CC3)n2)nn1
InChIInChI=1S/C12H15F2N5O/c1-19-7-9(16-18-19)6-10-15-11(20-17-10)8-2-4-12(13,14)5-3-8/h7-8H,2-6H2,1H3
InChIKeyQUGPXUZCIZHILB-UHFFFAOYSA-N
XLogP2.08
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole (CID 136572077) is 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole is Cn1cc(Cc2noc(C3CCC(F)(F)CC3)n2)nn1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is QUGPXUZCIZHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-19-7-9(16-18-19)6-10-15-11(20-17-10)8-2-4-12(13,14)5-3-8/h7-8H,2-6H2,1H3.
What are the key properties of 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole?
5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 283.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-3-[(1-methyltriazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136572077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).